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Yorodumi- PDB-1ims: MOLECULAR STRUCTURE OF THE HALOGENATED ANTI-CANCER DRUG IODODOXOR... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1ims | ||||||||||||||||||
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Title | MOLECULAR STRUCTURE OF THE HALOGENATED ANTI-CANCER DRUG IODODOXORUBICIN COMPLEXED WITH D(TGTACA) AND D(CGATCG) | ||||||||||||||||||
Components | DNA (5'-D(*Keywords | DNA / RIGHT HANDED DNA / DOUBLE HELIX / COMPLEXED WITH DRUG | Function / homology | 4'-DEOXY-4'-IODODOXORUBICIN / DNA | Function and homology information Method | X-RAY DIFFRACTION / Resolution: 1.5 Å | Authors | Berger, I. / Su, L. / Spitzner, J.R. / Kang, C. / Burke, T.G. / Rich, A. | Citation | Journal: Nucleic Acids Res. / Year: 1995 | Title: Molecular structure of the halogenated anti-cancer drug iododoxorubicin complexed with d(TGTACA) and d(CGATCG). Authors: Berger, I. / Su, L. / Spitzner, J.R. / Kang, C. / Burke, T.G. / Rich, A. History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ims.cif.gz | 14.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ims.ent.gz | 8.7 KB | Display | PDB format |
PDBx/mmJSON format | 1ims.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1ims_validation.pdf.gz | 413.1 KB | Display | wwPDB validaton report |
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Full document | 1ims_full_validation.pdf.gz | 413.5 KB | Display | |
Data in XML | 1ims_validation.xml.gz | 2 KB | Display | |
Data in CIF | 1ims_validation.cif.gz | 2.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/im/1ims ftp://data.pdbj.org/pub/pdb/validation_reports/im/1ims | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: DNA chain | Mass: 1809.217 Da / Num. of mol.: 1 / Source method: obtained synthetically |
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#2: Chemical | ChemComp-DM7 / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.79 Å3/Da / Density % sol: 55.89 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6 Details: pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 277.00K | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions |
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Crystal grow | *PLUS Temperature: 4 ℃ / pH: 6 | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 277 K |
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Detector | Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE |
Radiation | Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
-Processing
Software | Name: X-PLOR / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Resolution: 1.5→10 Å / σ(F): 2 /
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Refinement step | Cycle: LAST / Resolution: 1.5→10 Å
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Refine LS restraints |
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Refinement | *PLUS Highest resolution: 1.5 Å / Lowest resolution: 10 Å / σ(F): 2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |